2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide

C14H15F3N4O — CID 91455987

IUPAC2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCc1cc(C)c(C)c(C(=O)Nc2nc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C14H15F3N4O/c1-7-5-8(2)9(3)10(6-7)11(22)18-13-19-12(14(15,16)17)20-21(13)4/h5-6H,1-4H3,(H,18,19,20,22)
InChIKeySGAXBAFBIWEMOV-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.01
Rot. Bonds2

About 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide

2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 91455987) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
PubChem CID91455987
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCc1cc(C)c(C)c(C(=O)Nc2nc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C14H15F3N4O/c1-7-5-8(2)9(3)10(6-7)11(22)18-13-19-12(14(15,16)17)20-21(13)4/h5-6H,1-4H3,(H,18,19,20,22)
InChIKeySGAXBAFBIWEMOV-UHFFFAOYSA-N
XLogP3.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 171679218
[3-methyl-5-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]carbamoyl]phenyl] acetate
CID 59581591
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171679225
4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 171679224
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266
4-chloro-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 171679236
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 171679265
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 171679270
4-imidazol-1-yl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 171679272
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491
2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-methylsulfonylbenzamide
CID 120643414

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide (CID 91455987) is 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide is Cc1cc(C)c(C)c(C(=O)Nc2nc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is SGAXBAFBIWEMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-7-5-8(2)9(3)10(6-7)11(22)18-13-19-12(14(15,16)17)20-21(13)4/h5-6H,1-4H3,(H,18,19,20,22).
What are the key properties of 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 312.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 91455987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).